Glycoside
GD016639
Name:
NoneFormula:
C25H45O7N13Smiles:
NCCN(CC(=O)NCCN[C@H]1[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)[C@@H](N)C[C@@H](N)[C@H]1O)C(=O)Cn1cnc2c(N)ncnc21Aglycone:
NCCN(CC(=O)NCCNC1C(O)C(N)CC(N)C1O)C(=O)Cn1cnc2c(N)ncnc21Sugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.72 |
| AlogP: | -7.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 639.72 | Num_heavy_atoms: | 45 |
| TPSA: | 340.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD11955
Formula: C19H33O4N11
Smiles:
NCCN(CC(=O)NCCNC1C(O)C(N)CC(N)C1O)C(=O)Cn1cnc2c(N)ncnc21| HBA: | 15 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.63 |
| AlogP: | -4.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 479.55 | Num_heavy_atoms: | 34 |
| TPSA: | 249.58 | NumAromaticRings: | 2 |
